1-(Aminothioxomethyl)-3-(isopropyl)-3-pyrazolin-5-one
TL;DR: 1-(Aminothioxomethyl)-3-(isopropyl)-3-pyrazolin-5-one (CAS 1119391-69-3) is a chemical compound with molecular formula C7H11N3OS and molecular weight 185.06229 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-oxo-5-propan-2-yl-1H-pyrazole-2-carbothioamide
Also Known As: 1-(AMINOTHIOXOMETHYL)-3-(ISOPROPYL)-3-PYRAZOLIN-5-ONE, 3-oxo-5-propan-2-yl-1H-pyrazole-2-carbothioamide, 5-isopropyl-3-oxo-1H-pyrazole-2-carbothioamide, 5-oxo-3-propan-2-yl-2H-pyrazole-1-carbothioamide, 5-oxo-3-(propan-2-yl)-2,5-dihydro-1H-pyrazole-1-carbothioamide
Technical Specifications
| Molecular Formula | C7H11N3OS |
| Molecular Weight | 185.06229 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 90.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 185.06229 Da |
| Heavy Atoms | 12 |
| Complexity | 259.0 |
| SMILES | CC(C)C1=CC(=O)N(N1)C(=S)N |
| InChIKey | HGUXMMZEJCRQFN-UHFFFAOYSA-N |
Chemical Property Profile of 1-(Aminothioxomethyl)-3-(isopropyl)-3-pyrazolin-5-one
Property Insights of 1-(Aminothioxomethyl)-3-(isopropyl)-3-pyrazolin-5-one
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(Aminothioxomethyl)-3-(isopropyl)-3-pyrazolin-5-one. The TPSA of 90.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(Aminothioxomethyl)-3-(isopropyl)-3-pyrazolin-5-one. Following Lipinski's Rule of Five, 1-(Aminothioxomethyl)-3-(isopropyl)-3-pyrazolin-5-one has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-(Aminothioxomethyl)-3-(isopropyl)-3-pyrazolin-5-one?
The CAS number of 1-(Aminothioxomethyl)-3-(isopropyl)-3-pyrazolin-5-one is 1119391-69-3.
What is the molecular formula of 1-(Aminothioxomethyl)-3-(isopropyl)-3-pyrazolin-5-one?
The molecular formula of 1-(Aminothioxomethyl)-3-(isopropyl)-3-pyrazolin-5-one is C7H11N3OS.
What is the molecular weight of 1-(Aminothioxomethyl)-3-(isopropyl)-3-pyrazolin-5-one?
The molecular weight of 1-(Aminothioxomethyl)-3-(isopropyl)-3-pyrazolin-5-one is 185.06229 g/mol.
Where can I buy 1-(Aminothioxomethyl)-3-(isopropyl)-3-pyrazolin-5-one?
You can request a quote for 1-(Aminothioxomethyl)-3-(isopropyl)-3-pyrazolin-5-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(Aminothioxomethyl)-3-(isopropyl)-3-pyrazolin-5-one?
Yes, CoreyChem provides custom synthesis services for 1-(Aminothioxomethyl)-3-(isopropyl)-3-pyrazolin-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.